1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid

C10H13NO2S — CID 96927128

IUPAC1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid
SMILESC[C@H](c1cccs1)N1CC(C(=O)O)C1
InChIInChI=1S/C10H13NO2S/c1-7(9-3-2-4-14-9)11-5-8(6-11)10(12)13/h2-4,7-8H,5-6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyJRNDDEMKKAXOHO-SSDOTTSWSA-N
MW211.29 g/mol
LogP1.83
Rot. Bonds3

About 1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid

1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid (PubChem CID 96927128) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid
PubChem CID96927128
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid
SMILESC[C@H](c1cccs1)N1CC(C(=O)O)C1
InChIInChI=1S/C10H13NO2S/c1-7(9-3-2-4-14-9)11-5-8(6-11)10(12)13/h2-4,7-8H,5-6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyJRNDDEMKKAXOHO-SSDOTTSWSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenylethyl)azetidine-3-carboxylic acid
CID 65071589
3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid
CID 131000852
1,3,5-tris(1-thiophen-2-ylethyl)-1,3,5-triazinane
CID 68714918
1-[1-(4-methylphenyl)ethyl]azetidine-3-carboxylic acid
CID 65071734
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
1-[1-(3-chlorophenyl)ethyl]azetidine-3-carboxylic acid
CID 65071836
5-oxo-1-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxylic acid
CID 54962875
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
CID 83934845
1-[1-[4-(4-chlorophenyl)phenyl]ethyl]azetidine-3-carboxylic acid
CID 59451855
(3S)-1-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 93316384
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid (CID 96927128) is 1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid is C[C@H](c1cccs1)N1CC(C(=O)O)C1.
What is the InChIKey of 1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid?
The InChIKey is JRNDDEMKKAXOHO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7(9-3-2-4-14-9)11-5-8(6-11)10(12)13/h2-4,7-8H,5-6H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of 1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid?
1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 96927128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).